N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide

C16H26N2O — CID 109032012

IUPACN-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide
SMILESCc1ccc(NC(=O)CCNCCC(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-12(2)7-9-17-10-8-16(19)18-15-6-5-13(3)14(4)11-15/h5-6,11-12,17H,7-10H2,1-4H3,(H,18,19)
InChIKeyMYLIQDPVRUFYEN-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.27
Rot. Bonds7

About N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide

N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide (PubChem CID 109032012) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide
PubChem CID109032012
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide
SMILESCc1ccc(NC(=O)CCNCCC(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-12(2)7-9-17-10-8-16(19)18-15-6-5-13(3)14(4)11-15/h5-6,11-12,17H,7-10H2,1-4H3,(H,18,19)
InChIKeyMYLIQDPVRUFYEN-UHFFFAOYSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(3-methylbutylamino)propanamide
CID 109032052
N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide
CID 109032040
N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032011
N-(4-chloro-2-methylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032034
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
N-(3,4-dimethylphenyl)-3-[3-methylbutyl(methylsulfonyl)amino]propanamide
CID 113141171
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466525
N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021226
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide
CID 47028344
2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113166550
N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025396
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide (CID 109032012) is N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide is Cc1ccc(NC(=O)CCNCCC(C)C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide?
The InChIKey is MYLIQDPVRUFYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)7-9-17-10-8-16(19)18-15-6-5-13(3)14(4)11-15/h5-6,11-12,17H,7-10H2,1-4H3,(H,18,19).
What are the key properties of N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide?
N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide has a molecular weight of 262.40 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide is sourced from PubChem (CID 109032012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).